TCPA
SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N/N=N/C(=O)Nc1ccccc1)nc2NC1CCCC1 |
InChIKey | RZJAODYQRFMAKN-WVSUBDOOSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 6 |
Rotatable bonds | 7 |
Molecular weight (Da) | 497.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.68 | 6.68 | 6.68 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 8.55 | 8.55 | 8.55 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 8.55 | 8.55 | 8.55 | Guide to Pharmacology |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.68 | 6.68 | 6.68 | Guide to Pharmacology |
A2B | AA2BR | Human | Adenosine | A | pKi | 5.0 | 5.0 | 5.0 | Guide to Pharmacology |
A3 | AA3R | Human | Adenosine | A | pKi | 6.22 | 6.22 | 6.22 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.22 | 6.22 | 6.22 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A1 | AA1R | Human | Adenosine | A | pIC50 | 8.82 | 8.82 | 8.82 | ChEMBL |